N-(3-iodophenyl)spiro[4.5]decan-8-amine

C16H22IN — CID 114817215

IUPACN-(3-iodophenyl)spiro[4.5]decan-8-amine
SMILESIc1cccc(NC2CCC3(CCCC3)CC2)c1
InChIInChI=1S/C16H22IN/c17-13-4-3-5-15(12-13)18-14-6-10-16(11-7-14)8-1-2-9-16/h3-5,12,14,18H,1-2,6-11H2
InChIKeyMFFZYDVBOWSCKV-UHFFFAOYSA-N
MW355.26 g/mol
LogP5.21
Rot. Bonds2

About N-(3-iodophenyl)spiro[4.5]decan-8-amine

N-(3-iodophenyl)spiro[4.5]decan-8-amine (PubChem CID 114817215) has the molecular formula C16H22IN and a molecular weight of 355.26 g/mol. Its IUPAC name is N-(3-iodophenyl)spiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(3-iodophenyl)spiro[4.5]decan-8-amine
PubChem CID114817215
Molecular FormulaC16H22IN
Molecular Weight355.26 g/mol
Exact Mass355.08
IUPAC NameN-(3-iodophenyl)spiro[4.5]decan-8-amine
SMILESIc1cccc(NC2CCC3(CCCC3)CC2)c1
InChIInChI=1S/C16H22IN/c17-13-4-3-5-15(12-13)18-14-6-10-16(11-7-14)8-1-2-9-16/h3-5,12,14,18H,1-2,6-11H2
InChIKeyMFFZYDVBOWSCKV-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.26
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-(3-iodophenyl)spiro[4.5]decan-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)spiro[4.5]decan-8-amine?
The IUPAC name of N-(3-iodophenyl)spiro[4.5]decan-8-amine (CID 114817215) is N-(3-iodophenyl)spiro[4.5]decan-8-amine.
What is the SMILES notation for N-(3-iodophenyl)spiro[4.5]decan-8-amine?
The canonical SMILES for N-(3-iodophenyl)spiro[4.5]decan-8-amine is Ic1cccc(NC2CCC3(CCCC3)CC2)c1.
What is the InChIKey of N-(3-iodophenyl)spiro[4.5]decan-8-amine?
The InChIKey is MFFZYDVBOWSCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22IN/c17-13-4-3-5-15(12-13)18-14-6-10-16(11-7-14)8-1-2-9-16/h3-5,12,14,18H,1-2,6-11H2.
What are the key properties of N-(3-iodophenyl)spiro[4.5]decan-8-amine?
N-(3-iodophenyl)spiro[4.5]decan-8-amine has a molecular weight of 355.26 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)spiro[4.5]decan-8-amine is sourced from PubChem (CID 114817215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).